SCHEMBL21743776

SCHEMBL21743776

CN1CCc2c(cccc2N2CCOC(C)(C)C2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
DRD3 P35462 6/20 0.40
ADRA2A P08913 5/20 0.40
ADRA2B P18089 4/20 0.40
ADRA2C P18825 4/20 0.40
HTR1D P28221 3/20 0.40
HTR1B P28222 3/20 0.40
HTR2A P28223 3/20 0.40
HTR7 P34969 3/20 0.40
HTR2B P41595 3/20 0.40
HTR6 P50406 3/20 0.40
HTR1A P08908 3/20 0.40
SLC6A2 P23975 3/20 0.40
HRH1 P35367 2/20 0.40
DRD2 P14416 4/20 0.37
DRD5 P21918 4/20 0.37
DRD1 P21728 4/20 0.37
DRD4 P21917 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8219651 0.81 MAOA (0.47) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL21744255 0.77 MAOA (0.53) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL21744258 0.72 HTR6 (0.52) MAOAMAOBDRD3HTR1DHTR1B
SCHEMBL8023505 0.71 MAOA (0.49) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL23123784 0.71 C5AR1 (0.42) C5AR1ADRA2CLATS1
SCHEMBL12853760 0.66 DRD3 (0.60) MAOAMAOBDRD3ADRA2CHTR2A
SCHEMBL12363802 0.66 MAOA (0.59) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL17721296 0.66 MAOA (0.59) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL29507212 0.66 MAOA (0.59) MAOAMAOBDRD3ADRA2AADRA2B
SCHEMBL21743769 0.66 DRD2 (0.45) MAOAMAOBDRD3ADRA2AADRA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 C5AR1 66/4885MAOA 4180/4885MAOB 4428/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 C5AR1 66/4885MAOA 4180/4885MAOB 4428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.